SCHEMBL4417028

SCHEMBL4417028

Cc1nc(Cl)c(C#N)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
ABL1 P00519 1/20 0.53
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
FLT1 P17948 1/20 0.53
GRK5 P34947 1/20 0.53
KDR P35968 1/20 0.53
MAP2K2 P36507 1/20 0.53
CDK8 P49336 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
NEK2 P51955 1/20 0.53
LIMK1 P53667 1/20 0.53
MAP2K1 Q02750 1/20 0.53
PRKCQ Q04759 1/20 0.53
MAP4K2 Q12851 1/20 0.53
DYRK1A Q13627 1/20 0.53
IKBKE Q14164 1/20 0.53
NTRK3 Q16288 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8141742 0.86 CHEK1 (0.50) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL19439626 0.86 CHEK1 (0.59) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL5531200 0.81 CHEK1 (0.54) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL11370778 0.80 CHEK1 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL11084545 0.79 KDM4E (0.55) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL11809427 0.77 CHEK1 (0.53) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL7537686 0.76 ERBB2 (0.59) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL18852026 0.75 CHEK1 (0.51) CHEK1ABL1PDGFRBPDGFRAFLT1
SCHEMBL22774551 0.75 ALOX15 (0.48) CYP1A2CYP2C9CYP2C19NPSR1HSD17B10
SCHEMBL30683777 0.75 ALOX15 (0.48) CYP1A2CYP2C9CYP2C19NPSR1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397351-B1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
CN-1260226-C Tetrahydro-(benzo or thieno)-azepine-pyrazine and triazine derivatives as mGluR1 antagonists HOFFMANN LA ROCHE (CH) 2006-06-21 CN disclosed
CN-1245391-C Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
EP-1345609-B1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1512988-A Pyrimidine, Triazine and pyrazine derivatives as glutamate receptors - 2004-07-14 CN disclosed
CN-1487831-A Tetrahydro-(benzo or thieno)-azepine-pyrazine and triazine derivatives as mGluR1 antagonists - 2004-04-07 CN disclosed
EP-1397351-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-17 EP disclosed
US-6673795-B2 SUCH AS 6-(4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL)-2-METHYL-5-NITRO-3-(2,2,2-TRIFLUORO -ETHYL)-3H-PYRIMIDIN-4-ONE, WHICH ARE METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS USEFUL IN TREATING PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. 2004-01-06 US disclosed
EP-1345609-A1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-24 EP disclosed
US-6586422-B2 For therapy and prophylaxis of acute and/or chronic neurological disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 US disclosed
WO-2002098864-A1 PYRIMIDINE, TRIAZINE AND PYRAZINE DERIVATIVES AS GLUTAMATE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 WO disclosed
US-20020123488-A1 Pyrazine and triazine derivatives of 1,2,4,5-tetrahydro-Benzo or Thieno [d] azepine F. HOFFMANN-LA ROCHE AG (CH) 2002-09-05 US disclosed
WO-2002051418-A1 TETRAHYDRO-(BENZO OR THIENO)-AZEPINE-PYRAZINE AND TRIAZINE DERIVATIVES AS MGLUR 1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020123488-A1 Pyrazine and triazine derivatives of 1,2,4,5-tetrahydro-Benzo or Thieno [d] azepine GRM5, GRIK5, GRM1 CHEK1 4497/4885ABL1 1806/4885PDGFRB 575/4885
US-20030060466-A1 Pyrimidine, pyrazine and triazine derivatives P2RX5, IL5, P2RX2 CHEK1 3157/4885ABL1 1353/4885PDGFRB 1971/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.